3-氨基-5-碘-1H-吲唑 | 88805-76-9

• 物质功能分类: 有机原料 - 杂环化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡唑类
• 中文名称: 3-氨基-5-碘-1H-吲唑
• 中文别名: 1-氢-3-氨基-5-碘吲唑；B2794-013-氨基-5-碘吲唑
• 英文名称: 5-iodo-1H-indazol-3-amine
• CAS: 88805-76-9
• 化学式: C₇H₆IN₃
• mdl: MFCD09261138
• 分子量: 259.049
• InChiKey: GBUVSJWTWOWRSL-UHFFFAOYSA-N

物化性质

• 熔点：
  177-179℃
• 沸点：
  452.2±25.0 °C(Predicted)
• 密度：
  2.168±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  54.7
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  3-氨基-5-碘-1H-吲唑 在 四(三苯基膦)钯 、 sodium carbonate 、 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 、 N,N-二异丙基乙胺 作用下， 以 1,4-二氧六环 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 生成 ethyl 3-(3-(3-aminobenzamido)-1H-indazol-5-yl)benzoate
  参考文献：
  名称：

  吡唑并吡啶衍生物作为新型脾酪氨酸激酶抑制剂的鉴定

  摘要：

  抑制脾酪氨酸激酶 (Syk) 是治疗各种过敏性和自身免疫性疾病（如哮喘、类风湿性关节炎和过敏性鼻炎）的有前景的策略。此前，通过基于结构的虚拟筛选发现了一种具有新型吲唑支架的 Syk 抑制剂。在此，研究了吲唑 Syk 抑制剂的构效关系。几种新的抑制剂显示出对 Syk 的有效活性。特别是，化合物 18c 显示出良好的 Syk 抑制活性 (IC50 = 1.2 µM)，代表了用于进一步优化的良好先导化合物。

  DOI：

  10.1002/ardp.201800083
• 作为产物：
  描述：

  2-氟-5-碘苯甲腈 在 一水合肼 作用下， 以 乙醇 为溶剂， 反应 0.33h， 以97%的产率得到3-氨基-5-碘-1H-吲唑
  参考文献：
  名称：

  吡唑并吡啶衍生物作为新型脾酪氨酸激酶抑制剂的鉴定

  摘要：

  抑制脾酪氨酸激酶 (Syk) 是治疗各种过敏性和自身免疫性疾病（如哮喘、类风湿性关节炎和过敏性鼻炎）的有前景的策略。此前，通过基于结构的虚拟筛选发现了一种具有新型吲唑支架的 Syk 抑制剂。在此，研究了吲唑 Syk 抑制剂的构效关系。几种新的抑制剂显示出对 Syk 的有效活性。特别是，化合物 18c 显示出良好的 Syk 抑制活性 (IC50 = 1.2 µM)，代表了用于进一步优化的良好先导化合物。

  DOI：

  10.1002/ardp.201800083

文献信息

• [EN] METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION<br/>[FR] MÉTHODES ET COMPOSÉS DESTINÉS À LA RESTAURATION D'UNE FONCTION DE MUTANTS DE P53
  申请人：PMV PHARMACEUTICALS INC

  公开号：WO2021262684A1

  公开（公告）日：2021-12-30

  Mutations in oncogenes and tumor suppressors contribute to the development and progression of cancer. The present disclosure describes compounds and methods that restore DNA binding affinity of p53 mutants. The compounds of the present disclosure can bind to mutant p53 and restore the ability of the p53 mutant to bind DNA and activate downstream effectors involved in tumor suppression. The disclosed compounds can be used to reduce the progression of cancers that contain a p53 mutation.

  癌基因和肿瘤抑制基因的突变促成了癌症的发展和进展。本公开披露描述了一种恢复p53突变体DNA结合亲和力的化合物和方法。本公开披露的化合物可以结合突变型p53，并恢复p53突变体结合DNA并激活参与肿瘤抑制的下游效应子的能力。披露的化合物可用于减少含有p53突变的癌症的进展。
• [EN] (AZA)PYRIDOPYRAZOLOPYRIMIDINONES AND INDAZOLOPYRIMIDINONES AS INHIBITORS OF FIBRINOLYSIS<br/>[FR] (AZA)PYRIDOPYRAZOLOPYRIMIDINONES ET INDAZOLOPYRIMIDINONES UTILISÉES COMME INHIBITEURS DE LA FIBRINOLYSE
  申请人：BAYER PHARMA AG

  公开号：WO2015067549A1

  公开（公告）日：2015-05-14

  The present application relates to novel substituted (aza)pyridopyrazolopyrimidinones and indazolopyrimidinones, to processes for their preparation, the compounds for use alone or in combinations in a method for the treatment and/or prophylaxis of diseases, in particular for the treatment and/or prophylaxis of acute and recurrent bleeding in patients with or without underlying hereditary or acquired bleeding disorders, wherein the bleeding is associated with a disease or medical intervention selected from the group consisting of menorrhagia, postpartum hemorrhage, hemorrhagic shock, trauma, surgery, transplantation, stroke, liver diseases, hereditary angioedema, nosebleed, and synovitis and cartilage damage following hemarthrosis.

  本申请涉及新型取代的(氮杂)吡啶吡唑吡嘧啶酮和吲唑吡嘧啶酮，以及它们的制备方法，这些化合物可单独或组合使用于治疗和/或预防疾病的方法中，特别是用于治疗和/或预防患有或不患有基础遗传或获得性出血性疾病的患者的急性和复发性出血，其中出血与来自以下组中选择的疾病或医疗干预相关，该组包括月经过多、产后出血、出血性休克、创伤、手术、移植、中风、肝病、遗传性血管性水肿、鼻血、以及血液积聚后的滑膜炎和软骨损伤。
• (Aza)pyridopyrazolopyrimidinones and indazolopyrimidinones and their use
  申请人：BAYER PHARMA AKTIENGESELLSCHAFT

  公开号：US20150126449A1

  公开（公告）日：2015-05-07

  The present application relates to novel substituted (aza)pyridopyrazolopyrimidinones and indazolopyrimidinones, to processes for their preparation, the compounds for use alone or in combinations in a method for the treatment and/or prophylaxis of diseases, in particular for the treatment and/or prophylaxis of acute and recurrent bleeding in patients with or without underlying hereditary or acquired bleeding disorders, wherein the bleeding is associated with a disease or medical intervention selected from the group consisting of menorrhagia, postpartum hemorrhage, hemorrhagic shock, trauma, surgery, transplantation, stroke, liver diseases, hereditary angioedema, nosebleed, and synovitis and cartilage damage following hemarthrosis.

  本申请涉及新型取代的(氮杂)吡啶吡唑吡嘧啶酮和吲唑吡嘧啶酮，以及它们的制备方法，这些化合物可单独或组合使用于治疗和/或预防疾病的方法中，特别是用于治疗和/或预防患有或不患有基础遗传或获得性出血性疾病的患者的急性和复发性出血，其中出血与来自月经过多、产后出血、出血性休克、创伤、手术、移植、中风、肝病、遗传性血管性水肿、鼻血和血液性关节积血后的滑膜炎和软骨损伤等疾病或医疗干预有关。
• Aminoindazole derivatives
  申请人：Asahi Kasei Kogyo Kabushiki Kaisha

  公开号：US04533731A1

  公开（公告）日：1985-08-06

  A compound of the formula (I): ##STR1## wherein W.sub.1 and W.sub.2 each independently is a hydrogen atom or a ##STR2## group wherein Y is a n-C.sub.1-6 alkylene group or a n-C.sub.1-6 alkylene group having a C.sub.1-6 alkyl group substituent; and R.sub.1 and R.sub.2 each independently is a hydrogen atom or a C.sub.1-6 alkyl group, and ##STR3## group in ##STR4## group may form a saturated heterocyclic ring selected from the group consisting of morpholino, pyrrolidino, piperidino, homopiperidino and piperazino groups, and the saturated heterocyclic ring except the morpholino group may have at least one C.sub.1-4 alkyl group, hydroxyl group or halogen atom as a substituent; Z.sub.1 is a hydrogen atom, a chlorine atom, a bromine atom, an iodine atom, a hydroxyl group, an amino group, a C.sub.1-3 alkyl group or a methoxy group; Z.sub.2 is a hydrogen atom or an amino group; when W.sub.1 and W.sub.2 are both hydrogen atoms, Z.sub.1 is a hydroxyl group or an iodine atom and Z.sub.2 is hydrogen atom, or Z.sub.1 and Z.sub.2 are both amino groups; when Z.sub.1 and Z.sub.2 are both hydrogen atoms, the ##STR5## group in either W.sub.1 or W.sub.2 is a morpholino group; when Z.sub.1 is a chlorine atom, a hydroxyl group, an iodine atom, a methyl group or a methoxy group, Z.sub.2 is a hydrogen atom; when Z.sub.1 is an amino group, Z.sub.2 is a hydrogen atom or an amino group; when Z.sub.1 is a methyl group, a methoxy group or an amino group, Z.sub.1 is in the 5-position; when Z.sub.1 is an iodine atom, Z.sub.1 is in the 5- or 7-position; and when Z.sub.1 and Z.sub.2 are both amino groups, Z.sub.1 and Z.sub.2 are in the 5- and 7-positions; and the physiologically acceptable acid addition salt thereof which compounds have pharmaceutical utility, e.g.: treating inflammation.

  式(I)的化合物：其中W.sub.1和W.sub.2各自独立地是氢原子或##STR2##基团，其中Y是n-C.sub.1-6烷基烯基或具有C.sub.1-6烷基基团取代物的n-C.sub.1-6烷基烯基；R.sub.1和R.sub.2各自独立地是氢原子或C.sub.1-6烷基基团，以及##STR3##在##STR4##基团中的基团可能形成从吗啡啉，吡咯啉，哌啶，环己哌啶和哌嗪基团中选择的饱和杂环环；除了吗啡啉基团之外的饱和杂环环可能具有至少一个C.sub.1-4烷基基团，羟基基团或卤原子作为取代物；Z.sub.1是氢原子，氯原子，溴原子，碘原子，羟基，氨基，C.sub.1-3烷基基团或甲氧基基团；Z.sub.2是氢原子或氨基；当W.sub.1和W.sub.2都是氢原子时，Z.sub.1是羟基或碘原子，Z.sub.2是氢原子，或Z.sub.1和Z.sub.2都是氨基；当Z.sub.1和Z.sub.2都是氢原子时，W.sub.1或W.sub.2中的##STR5##基团是吗啡啉基团；当Z.sub.1是氯原子，羟基，碘原子，甲基基团或甲氧基基团时，Z.sub.2是氢原子；当Z.sub.1是氨基时，Z.sub.2是氢原子或氨基；当Z.sub.1是甲基基团，甲氧基基团或氨基时，Z.sub.1在5-位；当Z.sub.1是碘原子时，Z.sub.1在5-位或7-位；当Z.sub.1和Z.sub.2都是氨基时，Z.sub.1和Z.sub.2在5-位和7-位；以及其生理上可接受的酸盐，这些化合物具有药用价值，例如：用于治疗炎症。
• [EN] COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS<br/>[FR] COMPOSÉS UTILISABLES POUR LE TRAITEMENT DE TROUBLES INFLAMMATOIRES
  申请人：SCHERING CORP

  公开号：WO2010054279A1

  公开（公告）日：2010-05-14

  This invention relates to compounds of the Formula (I): (Chemical formula should be inserted here as it appears on abstract in paper form) (I) or a pharmaceutically acceptable salt, solvate or isomer thereof, which can be useful for the treatment of diseases or conditions mediated by MMPs, ADAMs, TACE, aggrecanase, TNF- or combinations thereof.

  本发明涉及式(I)的化合物：（化学式应按照纸质摘要中的形式插入在此处）（I）或其药用可接受的盐、溶剂合物或异构体，可用于治疗由MMPs、ADAMs、TACE、聚集素酶、TNF-或其组合介导的疾病或症状。